2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-dipropylacetamide

C14H18ClF2NOS — CID 142101580

IUPAC2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(F)(F)Sc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClF2NOS/c1-3-9-18(10-4-2)13(19)14(16,17)20-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyQDBJCHKVWVJLGT-UHFFFAOYSA-N
MW321.82 g/mol
LogP4.67
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-dipropylacetamide

2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-dipropylacetamide (PubChem CID 142101580) has the molecular formula C14H18ClF2NOS and a molecular weight of 321.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-dipropylacetamide
PubChem CID142101580
Molecular FormulaC14H18ClF2NOS
Molecular Weight321.82 g/mol
Exact Mass321.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(F)(F)Sc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClF2NOS/c1-3-9-18(10-4-2)13(19)14(16,17)20-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyQDBJCHKVWVJLGT-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.82
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-dipropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-dipropylacetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-dipropylacetamide (CID 142101580) is 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-dipropylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-dipropylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-dipropylacetamide is CCCN(CCC)C(=O)C(F)(F)Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-dipropylacetamide?
The InChIKey is QDBJCHKVWVJLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2NOS/c1-3-9-18(10-4-2)13(19)14(16,17)20-12-7-5-11(15)6-8-12/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-dipropylacetamide?
2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-dipropylacetamide has a molecular weight of 321.82 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-2,2-difluoro-N,N-dipropylacetamide is sourced from PubChem (CID 142101580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).